Elastic properties of CaCO<sub>3</sub> high pressure phases from first principles

Elastic properties of CaCO₃ high pressure phases from first principles

Huang Dan¹, Liu Hong^{1, 2, †}, Hou Ming-Qiang³, Xie Meng-Yu⁴, Lu Ya-Fei¹, Liu Lei¹, Yi Li¹, Cui Yue-Ju¹, Li Ying^{1, 2}, Deng Li-Wei⁴, Du Jian-Guo¹

(color online) Variations of calculated (a) densities and (b) wave velocities for aragonite, post-aragonite, -h-CaCO , C222 -CaCO with pressure.